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1,3,6-TRIHYDROXY-8-(7-HYDROXY-3,7-DIMETHYL-2,5-OCTA-DIEYL)-7-METHOXYXANTHONE
SpectraBase Compound ID 3SZFVrWXzry
InChI InChI=1S/C24H26O7/c1-13(6-5-9-24(2,3)29)7-8-15-20-19(12-17(27)23(15)30-4)31-18-11-14(25)10-16(26)21(18)22(20)28/h5,7,9-12,25-27,29H,6,8H2,1-4H3/b9-5+,13-7+
InChIKey KJAAMJGLBFDRRW-MHUSLGGSSA-N
Mol Weight 426.47 g/mol
Molecular Formula C24H26O7
Exact Mass 426.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87kiHSNEvFl
Name 1-[(2E,5E)-3,7-dimethyl-7-oxidanyl-octa-2,5-dienyl]-2-methoxy-3,6,8-tris(oxidanyl)xanthen-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26O7
InChI InChI=1S/C24H26O7/c1-13(6-5-9-24(2,3)29)7-8-15-20-19(12-17(27)23(15)30-4)31-18-11-14(25)10-16(26)21(18)22(20)28/h5,7,9-12,25-27,29H,6,8H2,1-4H3/b9-5+,13-7+
InChIKey KJAAMJGLBFDRRW-MHUSLGGSSA-N
Molecular Weight 426.465 g/mol
SMILES Oc1cc2c(C(c3c(C\C=C\(C\C=C\C(O)(C)C)C)c(c(cc3O2)O)OC)=O)c(c1)O
SPLASH splash10-006t-0094200000-5070ad4e7904da9b7597
Source of Spectrum E1-44-234-2
Synonyms 3,6,8-trihydroxy-1-[(2E,5E)-7-hydroxy-3,7-dimethyl-octa-2,5-dienyl]-2-methoxy-xanthen-9-one 3,6,8-trihydroxy-1-[(2E,5E)-7-hydroxy-3,7-dimethyl-octa-2,5-dienyl]-2-methoxy-xanthone 3,6,8-trihydroxy-1-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienyl]-2-methoxy-9-xanthenone
Wiley ID 1553358